CID 3071621

4-cyclohexene-1,2-diol, 3,6-di-4-morpholinyl-, dihydrochloride, (1-alpha,2-beta,3-alpha,6-beta)-

Structural Information

Molecular Formula
C14H24N2O4
SMILES
C1COCCN1[C@@H]2C=C[C@H]([C@@H]([C@H]2O)O)N3CCOCC3
InChI
InChI=1S/C14H24N2O4/c17-13-11(15-3-7-19-8-4-15)1-2-12(14(13)18)16-5-9-20-10-6-16/h1-2,11-14,17-18H,3-10H2/t11-,12-,13+,14+/m1/s1
InChIKey
RSDGBOQGFWOCNV-MQYQWHSLSA-N
Compound name
(1S,2S,3R,6R)-3,6-dimorpholin-4-ylcyclohex-4-ene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1736 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.180876 169.8
[M+Na]+ 307.162818 171.3
[M-H]- 283.166324 173.4
[M+NH4]+ 302.207423 177.7
[M+K]+ 323.136758 170.4
[M+H-H2O]+ 267.170860 159.9
[M+HCOO]- 329.171801 177.1
[M+CH3COO]- 343.187451 177.1
[M+Na-2H]- 305.148266 170.3
[M]+ 284.17305142 160.4
[M]- 284.17414858 160.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.